(1-ethoxycyclohexyl)-(oxan-3-yl)methanamine

C14H27NO2 — CID 107136911

IUPAC(1-ethoxycyclohexyl)-(oxan-3-yl)methanamine
SMILESCCOC1(C(N)C2CCCOC2)CCCCC1
InChIInChI=1S/C14H27NO2/c1-2-17-14(8-4-3-5-9-14)13(15)12-7-6-10-16-11-12/h12-13H,2-11,15H2,1H3
InChIKeyISSWVEGYVKXDBA-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.48
Rot. Bonds4

About (1-ethoxycyclohexyl)-(oxan-3-yl)methanamine

(1-ethoxycyclohexyl)-(oxan-3-yl)methanamine (PubChem CID 107136911) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (1-ethoxycyclohexyl)-(oxan-3-yl)methanamine.

Molecular Properties

Compound Name(1-ethoxycyclohexyl)-(oxan-3-yl)methanamine
PubChem CID107136911
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(1-ethoxycyclohexyl)-(oxan-3-yl)methanamine
SMILESCCOC1(C(N)C2CCCOC2)CCCCC1
InChIInChI=1S/C14H27NO2/c1-2-17-14(8-4-3-5-9-14)13(15)12-7-6-10-16-11-12/h12-13H,2-11,15H2,1H3
InChIKeyISSWVEGYVKXDBA-UHFFFAOYSA-N
XLogP2.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethoxycyclopentyl)-(oxan-3-yl)methanol
CID 107136224
cyclopentyl-(4-ethoxyoxan-4-yl)methanamine
CID 116765524
(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methanamine
CID 116768060
(1-ethoxycyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 116763566
(4-ethoxyoxan-4-yl)-(3-methylcyclohexyl)methanamine
CID 116765339
(4-ethoxyoxan-4-yl)-(3-ethylcyclohexyl)methanamine
CID 116765468
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107136933
(3,4-dimethylcyclohexyl)-(1-ethoxycyclopentyl)methanamine
CID 116761764
cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine
CID 116768145
(1-ethoxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 116766870
(1-ethoxycyclohexyl)-(2-ethylcyclohexyl)methanamine
CID 116763744
(1R)-1-[(3S)-oxan-3-yl]propan-1-amine
CID 96636720

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclohexyl)-(oxan-3-yl)methanamine?
The IUPAC name of (1-ethoxycyclohexyl)-(oxan-3-yl)methanamine (CID 107136911) is (1-ethoxycyclohexyl)-(oxan-3-yl)methanamine.
What is the SMILES notation for (1-ethoxycyclohexyl)-(oxan-3-yl)methanamine?
The canonical SMILES for (1-ethoxycyclohexyl)-(oxan-3-yl)methanamine is CCOC1(C(N)C2CCCOC2)CCCCC1.
What is the InChIKey of (1-ethoxycyclohexyl)-(oxan-3-yl)methanamine?
The InChIKey is ISSWVEGYVKXDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-17-14(8-4-3-5-9-14)13(15)12-7-6-10-16-11-12/h12-13H,2-11,15H2,1H3.
What are the key properties of (1-ethoxycyclohexyl)-(oxan-3-yl)methanamine?
(1-ethoxycyclohexyl)-(oxan-3-yl)methanamine has a molecular weight of 241.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclohexyl)-(oxan-3-yl)methanamine is sourced from PubChem (CID 107136911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).